methyl 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]benzoate CAS Name: 3-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[2-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O3S/c1-13-7-5-10-18-14(2)11-19(24-20(13)18)28-15(3)21(25)23-17-9-6-8-16(12-17)22(26)27-4/h5-12,15H,1-4H3,(H,23,25)